CID 5279303

4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione

Structural Information

Molecular Formula
C14H18N2S
SMILES
CCC1=C(NC(=S)N1)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C14H18N2S/c1-4-12-13(16-14(17)15-12)8-11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3,(H2,15,16,17)
InChIKey
SXZNGCRJMVEPOR-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 155.9
[M+Na]+ 269.10828 166.4
[M-H]- 245.11178 158.5
[M+NH4]+ 264.15288 172.8
[M+K]+ 285.08222 159.1
[M+H-H2O]+ 229.11632 149.4
[M+HCOO]- 291.11726 170.7
[M+CH3COO]- 305.13291 189.7
[M+Na-2H]- 267.09373 154.4
[M]+ 246.11851 156.5
[M]- 246.11961 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.